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Structure of the C. crescentus S-layer

Analyse Structure of the C. crescentus S-layer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5N97
Type
protein
Length
4,668 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
S-layer protein rsaa
UniProt
A0A0H3C8J1
Ligands
CA
Pockets
3 · best druggability 0.35

Structure

electron microscopy · 1 distinct chain · 2% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FS-layer protein rsaaprotein7782% helix, 43% strandA0A0H3C8J1

Ligands and binding sites

  • CA · Calcium ion · metal · 114 copies · chains A, B, C, D, E, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.350.7424empty
2590.310.7613empty
3600.290.7415empty

Interfaces

6 interfaces between chains.

  • A–C · 352 Ų buried · 3 hydrogen bonds · protein-protein
  • C–F · 352 Ų buried · 6 hydrogen bonds · protein-protein
  • D–E · 341 Ų buried · 3 hydrogen bonds · protein-protein
  • A–E · 341 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 329 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5N97 · Structure of the C. crescentus S-layer · the same entry in another collection · chain A against A, TM-score 1.00

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